dimethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC#C

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC#C

InChI

InChI=1S/C18H22N4O2S/c1-4-10-19-16(23)13-25-18-20-15-9-6-5-8-14(15)17(24)22(18)12-7-11-21(2)3/h1,5-6,8-9H,7,10-13H2,2-3H3,(H,19,23)/p+1